2-amino-3-oxo-2-phenylheptanoic acid

C13H17NO3 — CID 18980748

IUPAC2-amino-3-oxo-2-phenylheptanoic acid
SMILESCCCCC(=O)C(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-3-9-11(15)13(14,12(16)17)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3,(H,16,17)
InChIKeyXHTZVSHVUWBLJO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-3-oxo-2-phenylheptanoic acid

2-amino-3-oxo-2-phenylheptanoic acid (PubChem CID 18980748) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-amino-3-oxo-2-phenylheptanoic acid.

Molecular Properties

Compound Name2-amino-3-oxo-2-phenylheptanoic acid
PubChem CID18980748
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-amino-3-oxo-2-phenylheptanoic acid
SMILESCCCCC(=O)C(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-3-9-11(15)13(14,12(16)17)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3,(H,16,17)
InChIKeyXHTZVSHVUWBLJO-UHFFFAOYSA-N
XLogP1.68
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
2-amino-2-phenylhexan-3-one
CID 116563859
11-amino-11-decanoylhenicosane-10,12-dione;triphenylphosphane;hydrobromide
CID 174886563
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
N-tritylpentanamide
CID 71163215
2,2-diphenylhexanamide;hydrochloride
CID 142429226
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
3-amino-3-phenylpentane-2,4-dione
CID 70119036
2-butyl-2-phenylpentanedioic acid
CID 67892428
1,1-diphenylpentan-1-amine
CID 10263654
[[carboxy(tetratriacontyl)amino]-diphenylmethyl]-tetratriacontylcarbamic acid
CID 87081562
2-nonyl-2-phenylpropanedioic acid
CID 70554602

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-oxo-2-phenylheptanoic acid?
The IUPAC name of 2-amino-3-oxo-2-phenylheptanoic acid (CID 18980748) is 2-amino-3-oxo-2-phenylheptanoic acid.
What is the SMILES notation for 2-amino-3-oxo-2-phenylheptanoic acid?
The canonical SMILES for 2-amino-3-oxo-2-phenylheptanoic acid is CCCCC(=O)C(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-3-oxo-2-phenylheptanoic acid?
The InChIKey is XHTZVSHVUWBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-3-9-11(15)13(14,12(16)17)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-oxo-2-phenylheptanoic acid?
2-amino-3-oxo-2-phenylheptanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-oxo-2-phenylheptanoic acid is sourced from PubChem (CID 18980748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).